1,1,1-trifluoro-4-methylpenta-2,3-diene

C6H7F3 — CID 57083559

IUPAC1,1,1-trifluoro-4-methylpenta-2,3-diene
SMILESCC(C)=C=CC(F)(F)F
InChIInChI=1S/C6H7F3/c1-5(2)3-4-6(7,8)9/h4H,1-2H3
InChIKeyHKWOIKYMSVZFBL-UHFFFAOYSA-N
MW136.12 g/mol
LogP2.67
Rot. Bonds

About 1,1,1-trifluoro-4-methylpenta-2,3-diene

1,1,1-trifluoro-4-methylpenta-2,3-diene (PubChem CID 57083559) has the molecular formula C6H7F3 and a molecular weight of 136.12 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methylpenta-2,3-diene.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methylpenta-2,3-diene
PubChem CID57083559
Molecular FormulaC6H7F3
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Name1,1,1-trifluoro-4-methylpenta-2,3-diene
SMILESCC(C)=C=CC(F)(F)F
InChIInChI=1S/C6H7F3/c1-5(2)3-4-6(7,8)9/h4H,1-2H3
InChIKeyHKWOIKYMSVZFBL-UHFFFAOYSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(Trifluoromethyl)propene
CID 136214
1,1-Difluoro-3-methylbuta-1,2-diene
CID 12769992
1,1-Difluoro-2-methylprop-1-ene
CID 13087755
Trifluoroisobutene
CID 19788889
1,1,1-Trifluoropenta-2,3-diene
CID 56991262
(E)-1,3,3,3-tetrafluoro-2-methylprop-1-ene
CID 23236243
1,1-Difluoro-4-methylpenta-2,3-diene
CID 15710923
(E)-1,1,1-trifluoro-2-methylbut-2-ene
CID 12578248
1,1,1-Trifluoro-3-methyl-2-butene
CID 12769989
1,1,1,4,4,4-Hexafluoro-2-methylbut-2-ene
CID 13144951
1,1,1-Trifluoro-2-(trifluoromethyl)but-2-ene
CID 13700728
2-Methyl-3,3-difluoro-1-propene
CID 15507527

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-methylpenta-2,3-diene?
The IUPAC name of 1,1,1-trifluoro-4-methylpenta-2,3-diene (CID 57083559) is 1,1,1-trifluoro-4-methylpenta-2,3-diene.
What is the SMILES notation for 1,1,1-trifluoro-4-methylpenta-2,3-diene?
The canonical SMILES for 1,1,1-trifluoro-4-methylpenta-2,3-diene is CC(C)=C=CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-methylpenta-2,3-diene?
The InChIKey is HKWOIKYMSVZFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3/c1-5(2)3-4-6(7,8)9/h4H,1-2H3.
What are the key properties of 1,1,1-trifluoro-4-methylpenta-2,3-diene?
1,1,1-trifluoro-4-methylpenta-2,3-diene has a molecular weight of 136.12 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-methylpenta-2,3-diene is sourced from PubChem (CID 57083559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).